"read.crd"(file, ...)
Read coordinate data from an AMBER coordinate / restart file.
Read a AMBER Coordinate format file.
Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696. http://ambermd.org/formats.html
See AMBER documentation for Coordinate format description.
## Read Amber PRMTOP and CRD files prm <- read.prmtop(system.file("examples/crambin.prmtop", package="bio3d")) crd <- read.crd(system.file("examples/crambin.inpcrd", package="bio3d")) ## Convert to PDB format pdb <- as.pdb(prm, crd)Summary of PDB generation: .. number of atoms in PDB determined by 'xyz' .. 46 atom(s) from 'string' selection .. 46 atom(s) in final combined selection .. number of atoms in PDB: 639 .. number of calphas in PDB: 46 .. number of residues in PDB: 46## Atom selection ca.inds <- atom.select(prm, "calpha")Summary of PDB generation: .. number of atoms in PDB determined by 'xyz' .. 46 atom(s) from 'string' selection .. 46 atom(s) in final combined selection .. number of atoms in PDB: 639 .. number of calphas in PDB: 46 .. number of residues in PDB: 46
read.prmtop
, read.ncdf
,
as.pdb
, atom.select
,
read.pdb
, read.crd.charmm